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  • Thifluzamide
Name:Thifluzamide
CAS No:130000-40-7

PRODUCT DESCRIPTION

【Name】
Thifluzamide
【Iupac name】
N-[2,
6-dibromo-4-(trifluoromethoxy)phenyl]-2-methyl-4-(trifluoromethyl)-1,
3-thiazole-5-carboxamide
【CAS Registry number】
130000-40-7
【Synonyms】
Greatam
MON 24000
Pulsor
5-Thiazolecarboxamide,N-[2,6-dibromo-4-(trifluoromethoxy)phenyl]-2-methyl-4-(trifluoromethyl)-
【Molecular Formula】
C13H6Br2F6N2O2S (Products with the same molecular formula)
【Molecular Weight】
528.06
【Inchi】
InChI=1/C13H6Br2F6N2O2S/c1-4-22-10(12(16,17)18)9(26-4)11(24)23-8-6(14)2-5(3-7(8)15)25-13(19,20)21/h2-3H,1H3,(H,23,24)
【InChIKey】
WOSNCVAPUOFXEH-UHFFFAOYSA-N
【Canonical SMILES】
CC1=NC(=C(S1)C(=O)NC2=C(C=C(C=C2Br)OC(F)(F)F)Br)C(F)(F)F
【MOL File】
130000-40-7.mol

Chemical and Physical Properties

【Density】
1.93 g/cm3
【Boiling Point】
375.9 °C at 760mmHg
【Vapour】
7.51E-06mmHg at 25°C
【Refractive Index】
1.569
【Flash Point】
181.2 °C
【Storage temp】
0-6°C
【Computed Properties】
Molecular Weight:528.062359 [g/mol]
Molecular Formula:C13H6Br2F6N2O2S
XLogP3-AA:6
H-Bond Donor:1
H-Bond Acceptor:9
Rotatable Bond Count:3
Tautomer Count:2
Exact Mass:527.840046
MonoIsotopic Mass:525.842093
Topological Polar Surface Area:79.5
Heavy Atom Count:26
Formal Charge:0
Complexity:512
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Donor Count:1
Feature 3D Hydrophobe Count:2
Feature 3D Ring Count:2
Effective Rotor Count:6
Conformer Sampling RMSD:0.8
CID Conformer Count:12

Safety and Handling

【Specification】

 Thifluzamide (CAS NO.130000-40-7) is also named as 5-Thiazolecarboxamide, N-(2,6-dibromo-4-(trifluoromethoxy)phenyl)-2-methyl-4-(trifluoromethyl)- . Pure product is white solid powder.

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